Vitas-M small molecule compound
6-tert-butyl-N-(3-chlorophenyl)-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385141
SMILES COc1ccc(cc1)/C=N/c1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC(C2)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H29ClN2O2S MW 481.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O2S/c1-27(2,3)18-10-13-22-23(14-18)33-26(29-16-17-8-11-21(32-4)12-9-17)24(22)25(31)30-20-7-5-6-19(28)15-20/h5-9,11-12,15-16,18H,10,13-14H2,1-4H3,(H,30,31)/b29-16+InChIKey
CGRAPERODLUAMF-MUFRIFMGSA-NSynonyms
6tertbutylN(3chlorophenyl)2(((E)(4methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(3chlorophenyl)2((E)(4methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)N=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCC(C2)C(C)(C)C
InChI=1SC27H29ClN2O2Sc127(23)1810132223(1418)3326(29161781121(324)12917)24(22)25(31)302075619(28)1520h591112151618H101314H214H3(H3031)b2916+
MFCD03616454
ZINC000015946128
ZINC000015946129
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